Converts volume fractions of hydrocarbon mixtures to molar fractions
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Converts volume fractions of liquid hydrocarbon mixtures to molar fractions. Also supports calculating the equilibrium composition given reactant mole fractions. The mole fractions of the fuel components, plus oxygen and nitrogen at stoichiometric conditions, are reported as results.

Currently supports the following species:

  • n-heptane (nc7h16)
  • iso-octane (ic8h18)
  • toluene (c6h5ch3)
  • n-decane (nc10h22)
  • n-dodecane (nc12h26)
  • n-hexadecane (cetane, nc16h34)
  • iso-cetane (hmn, ic16h34)
  • n-propylbenzene (nc9h12, c6h5ch2ch2ch3)
  • mesitylene (c6h3(ch3)3)
  • methyl decanoate (md, methyl caprate, c11h22o2)
  • 1-pentene (c5h10-1)
  • 2-pentene (c5h10-2)
  • 1-hexene (c6h12-1)
  • methylcyclohexane (MCH)
  • butane (c4h10)
  • n-pentane (c5h12)
  • 2-methylbutane (ic5h12, c5h12-2)
  • 2-methylhexane (c7h16-2)
  • 2-methylheptane (c8h18-2)
  • xylene (c8h10)
  • methanol (ch3oh)
  • ethanol (c2h5oh)
  • propanol (c3h7oh)
  • n-butanol (c4h9oh)
  • isobutanol (2-methyl-1-propanol)


From the command line, use python for converting volume fraction to mole fraction. Or, if only obtaining the equilibrium composition is desired, use python equil.

At the prompt, enter the reactant species names and volume (or mole) fractions: e.g., nc7h16 0.2.


vol-to-mole is released under the modified BSD license, see LICENSE for details.


If you use this software as part of a scholarly publication, please cite the software directly using the DOI: 10.5281/zenodo.44328


Created by Kyle Niemeyer. Email address: